(2R)-2-(2-chloroethyl)-1-methylpyrrolidine

C7H14ClN — CID 36691001

IUPAC(2R)-2-(2-chloroethyl)-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1CCCl
InChIInChI=1S/C7H14ClN/c1-9-6-2-3-7(9)4-5-8/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyCLVNTYZKUHNUEF-SSDOTTSWSA-N
MW147.65 g/mol
LogP1.71
Rot. Bonds2

About (2R)-2-(2-chloroethyl)-1-methylpyrrolidine

(2R)-2-(2-chloroethyl)-1-methylpyrrolidine (PubChem CID 36691001) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is (2R)-2-(2-chloroethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-chloroethyl)-1-methylpyrrolidine
PubChem CID36691001
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name(2R)-2-(2-chloroethyl)-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1CCCl
InChIInChI=1S/C7H14ClN/c1-9-6-2-3-7(9)4-5-8/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyCLVNTYZKUHNUEF-SSDOTTSWSA-N
XLogP1.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloroethyl)-1-methylpyrrolidine?
The IUPAC name of (2R)-2-(2-chloroethyl)-1-methylpyrrolidine (CID 36691001) is (2R)-2-(2-chloroethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-(2-chloroethyl)-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-(2-chloroethyl)-1-methylpyrrolidine is CN1CCC[C@@H]1CCCl.
What is the InChIKey of (2R)-2-(2-chloroethyl)-1-methylpyrrolidine?
The InChIKey is CLVNTYZKUHNUEF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14ClN/c1-9-6-2-3-7(9)4-5-8/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-(2-chloroethyl)-1-methylpyrrolidine?
(2R)-2-(2-chloroethyl)-1-methylpyrrolidine has a molecular weight of 147.65 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloroethyl)-1-methylpyrrolidine is sourced from PubChem (CID 36691001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).